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(R) - (-) -Hydroxy Chloroquine Diphosphate

CAT: 0024-sc-490072Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490072Size:5 mg
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CAS Number
158749-75-8

Chemical Information

(R)-(-)-Hydroxy Chloroquine Diphosphate
CAS Number158749-75-8
PubChem CID76972916
IUPAC Name2-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]ethanol;phosphoric acid
Molecular FormulaC18H32ClN3O9P2
Molecular Weight531.9
Topological Polar Surface Area204
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity381
SMILES
CCN(CCC[C@@H](C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OP(=O)(O)O.OP(=O)(O)O
InChI
InChI=1S/C18H26ClN3O.2H3O4P/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;2*1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);2*(H3,1,2,3,4)/t14-;;/m1../s1
InChIKey
CRCWPKGKPRVXAP-FMOMHUKBSA-N
Chemical Structure
2D Structure
2D structure of (R)-(-)-Hydroxy Chloroquine Diphosphate
CAS: 158749-75-8
CID: 76972916
Formula: C18H32ClN3O9P2
MW: 531.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass531.1302313
Monoisotopic Mass531.1302313
Topological Polar Surface Area204 Ų
Heavy Atom Count33
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
IGA74976-01(S) - (+) -Hydroxy chloroquine diphosphate
TRC-H905300-500MG(R)-(-)-Hydroxy Chloroquine Diphosphate
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TRC-H905307-25MG(S)-(+)-Hydroxy Chloroquine-d4 Diphosphate
TRC-H905302-25MG(R)-(-)-Hydroxy Chloroquine-d4 Diphosphate
465168-01S- (+) -Hydroxy Chloroquine-d5 Diphosphate
TRC-H905308-25MG(S)-(+)-Hydroxy Chloroquine-d5 Diphosphate
TRC-H905303-25MG(R)-(-)-Hydroxy Chloroquine-d5 Diphosphate
465167-01S- (+) -Hydroxy Chloroquine-d4 Diphosphate
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